Chemical Properties of octatriacontane (CAS 7194-85-6)

InChI

InChI=1S/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3

InChI Key

BVKCQBBZBGYNOP-UHFFFAOYSA-N

Formula

C38H78

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

535.03

CAS

7194-85-6

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.4987		Relay (1.0) Calculated Property
ΔfG°	269.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-834.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	94.18	kJ/mol	Joback Calculated Property
ΔvapH°	192.60	kJ/mol	NIST
IE	10.53	eV	Relay (1.0) Calculated Property
log10WS	-13.57		Relay (1.0) Calculated Property
logPoct/wat	15.070		Crippen Calculated Property
McVol	546.280	ml/mol	McGowan Calculated Property
Pc	422.33	kPa	Joback Calculated Property
Tboil	685.56	K	Relay (1.0) Calculated Property
Tc	852.98	K	Relay (1.0) Calculated Property
Tfus	[350.30; 350.40]	K
Tfus	350.30 ± 4.00	K	NIST
Tfus	350.40 ± 4.00	K	NIST
Vc	2.200	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[128.50; 192.60]	kJ/mol	[298.15; 665.50]
ΔvapH	192.60	kJ/mol	298.15	Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
ΔvapH	160.00 ± 2.00	kJ/mol	491.00	NIST
ΔvapH	128.50	kJ/mol	665.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[811.60; 1979.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.16540e+01
Coefficient B			3.61384e+00
Coefficient C			-2.04340e-03
Coefficient D			4.41000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	811.60	J/mol×K	273.00	Calculated Property
Cp,gas	1010.62	J/mol×K	353.78	Calculated Property
Cp,gas	1189.08	J/mol×K	434.56	Calculated Property
Cp,gas	1348.37	J/mol×K	515.33	Calculated Property
Cp,gas	1489.89	J/mol×K	596.11	Calculated Property
Cp,gas	1615.04	J/mol×K	676.89	Calculated Property
Cp,gas	1725.21	J/mol×K	757.67	Calculated Property
Cp,gas	1821.80	J/mol×K	838.44	Calculated Property
Cp,gas	1906.19	J/mol×K	919.22	Calculated Property
Cp,gas	1979.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0120018; 0.0000097]	Pa×s	[350.35; 977.33]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.55217e+01
Coefficient B			3.88852e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			350.35
Temperature range, max.			977.33
η	0.0120018	Pa×s	350.35	Calculated Property
η	0.0019044	Pa×s	420.01	Calculated Property
η	0.0005102	Pa×s	489.68	Calculated Property
η	0.0001898	Pa×s	559.34	Calculated Property
η	0.0000879	Pa×s	629.01	Calculated Property
η	0.0000474	Pa×s	698.67	Calculated Property
η	0.0000286	Pa×s	768.34	Calculated Property
η	0.0000188	Pa×s	838.00	Calculated Property
η	0.0000132	Pa×s	907.67	Calculated Property
η	0.0000097	Pa×s	977.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[604.82; 827.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53729e+01
Coefficient B			-6.72317e+03
Coefficient C			-1.59144e+02
Temperature range, min.			604.82
Temperature range, max.			827.36
Pvap	1.33	kPa	604.82	Calculated Property
Pvap	2.95	kPa	629.55	Calculated Property
Pvap	6.02	kPa	654.27	Calculated Property
Pvap	11.48	kPa	679.00	Calculated Property
Pvap	20.64	kPa	703.73	Calculated Property
Pvap	35.29	kPa	728.45	Calculated Property
Pvap	57.69	kPa	753.18	Calculated Property
Pvap	90.69	kPa	777.91	Calculated Property
Pvap	137.68	kPa	802.63	Calculated Property
Pvap	202.66	kPa	827.36	Calculated Property

Similar Compounds

Find more compounds similar to octatriacontane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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